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Methyl p-coumarate

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CAS:3943-97-3
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Methyl p-coumarate Basic information
Product Name:Methyl p-coumarate
Synonyms:METHYL 3-(4-HYDROXYPHENYL)ACRYLATE;METHYL P-HYDROXYCINNAMATE;METHYL 4-COUMARATE;3-(4-hydroxyphenyl)prop-2-enoic acid methyl ester;methyl (2Z)-3-(4-hydroxyphenyl)acrylate;methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate;Methyl 4-hydroxycinnamate, >=98.5%;(E)-3-(4-hydroxyphenyl)-2-methyl-2-propenoate
CAS:3943-97-3
MF:C10H10O3
MW:178.18
EINECS:223-531-1
Product Categories:Aromatic Esters;Aromatic Cinnamic Acids, Esters and Derivatives;Inhibitors
Mol File:3943-97-3.mol
Methyl p-coumarate Structure
Methyl p-coumarate Chemical Properties
Melting point 144-145°
Boiling point 306.6±17.0 °C(Predicted)
density 1+-.0.06 g/cm3(Predicted)
vapor pressure 0.056Pa at 25℃
storage temp. Inert atmosphere,Room Temperature
pka8.82±0.13(Predicted)
form crystals
color White
Water Solubility 5.332g/L at 25℃
InChIInChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3
InChIKeyNITWSHWHQAQBAW-UHFFFAOYSA-N
SMILESC(OC)(=O)C=CC1=CC=C(O)C=C1
LogP1.88 at 25℃
CAS DataBase Reference3943-97-3(CAS DataBase Reference)
NIST Chemistry Reference2-Propenoic acid, 3-(4-hydroxyphenyl)-, methyl ester(3943-97-3)
Safety Information
HazardClass IRRITANT
HS Code 2916399090
MSDS Information
Methyl p-coumarate Usage And Synthesis
DescriptionMethyl 4-hydroxycinnamate is an atifungal agent and a cinnamic acid derivative used in structure-antifungal activity relationship studies against Aspergillus flavus, Aspergillus terreus, and Aspergillus niger.
OccurrenceMethyl 4-hydroxycinnamate isolated from the herbs of Piper longum, Alpinia blepharocalyx, and Grevillea robusta.
Uses3-(4-Hydroxyphenyl)-2-propenoic Acid Methyl Ester is used in the synthesis of AB3 and constitutional isomeric AB2 phenylpropyl ether-based supramolecular dendrimers. Also used in the synthesis of potent antagonists of leukotrines.
DefinitionChEBI: 4-coumaric acid methyl ester is a cinnamate ester that is the methyl ester of 4-coumaric acid. It has a role as a melanin synthesis inhibitor, a fungal metabolite, an anti-inflammatory agent, an antifungal agent and a plant metabolite. It is a cinnamate ester, a member of phenols and a methyl ester. It derives from a 4-coumaric acid.
Synthesis Reference(s)Chemical and Pharmaceutical Bulletin, 28, p. 3662, 1980 DOI: 10.1248/cpb.28.3662
Tag:Methyl p-coumarate(3943-97-3) Related Product Information
Caffeic acid 2-HYDROXYCINNAMIC ACID 4-(Trifluoromethyl)cinnamic acid alpha-Methylcinnamic acid Ethyl 4-methylcinnamate Basic Violet 1 Kresoxim-methyl Methanol 3-Hydroxycinnamic acid Methylparaben METHYL 4-METHYLCINNAMATE Methyl cinnamate ETHYL COUMARATE Paraquat dichloride Methyl (R)-(-)-3-hydroxybutyrate 4-Hydroxycinnamic acid (E)-Methyl 4-coumarate Cinnamic acid